2-[1-(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)azetidin-3-yl]acetic acid

C13H13N3O4 — CID 64604347

IUPAC2-[1-(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)azetidin-3-yl]acetic acid
SMILESCc1noc2ncc(C(=O)N3CC(CC(=O)O)C3)cc12
InChIInChI=1S/C13H13N3O4/c1-7-10-3-9(4-14-12(10)20-15-7)13(19)16-5-8(6-16)2-11(17)18/h3-4,8H,2,5-6H2,1H3,(H,17,18)
InChIKeyDSTXBIQNGLKLJE-UHFFFAOYSA-N
MW275.26 g/mol
LogP1.08
Rot. Bonds3

About 2-[1-(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)azetidin-3-yl]acetic acid

2-[1-(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)azetidin-3-yl]acetic acid (PubChem CID 64604347) has the molecular formula C13H13N3O4 and a molecular weight of 275.26 g/mol. Its IUPAC name is 2-[1-(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)azetidin-3-yl]acetic acid
PubChem CID64604347
Molecular FormulaC13H13N3O4
Molecular Weight275.26 g/mol
Exact Mass275.09
IUPAC Name2-[1-(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)azetidin-3-yl]acetic acid
SMILESCc1noc2ncc(C(=O)N3CC(CC(=O)O)C3)cc12
InChIInChI=1S/C13H13N3O4/c1-7-10-3-9(4-14-12(10)20-15-7)13(19)16-5-8(6-16)2-11(17)18/h3-4,8H,2,5-6H2,1H3,(H,17,18)
InChIKeyDSTXBIQNGLKLJE-UHFFFAOYSA-N
XLogP1.08
TPSA96.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)azetidin-3-yl]acetic acid?
The IUPAC name of 2-[1-(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)azetidin-3-yl]acetic acid (CID 64604347) is 2-[1-(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)azetidin-3-yl]acetic acid is Cc1noc2ncc(C(=O)N3CC(CC(=O)O)C3)cc12.
What is the InChIKey of 2-[1-(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)azetidin-3-yl]acetic acid?
The InChIKey is DSTXBIQNGLKLJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O4/c1-7-10-3-9(4-14-12(10)20-15-7)13(19)16-5-8(6-16)2-11(17)18/h3-4,8H,2,5-6H2,1H3,(H,17,18).
What are the key properties of 2-[1-(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)azetidin-3-yl]acetic acid?
2-[1-(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)azetidin-3-yl]acetic acid has a molecular weight of 275.26 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)azetidin-3-yl]acetic acid is sourced from PubChem (CID 64604347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).